Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
1096-80-6 / 2,3,5-triphenyltetrazol-2-ium bromide
2,3,5-Triphenyltetrazolium bromide | Triphenyltetrazolium bromide | NS1U1P5FP9
Basic Information
CAS
1096-80-6
Multi CAS
Yes
Molecular Formula
C19H15BrN4
Molecular Weight
379.300000
Exact Mass
378.048010
SMILES
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChI
InChI=1S/C19H15N4.BrH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
InChIKey
YZSUTKMFUHJPNB-UHFFFAOYSA-M
Synonyms
2,3,5-Triphenyltetrazolium bromide
Triphenyltetrazolium bromide
NS1U1P5FP9
DTXSID60892988
RefChem:900030
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
23
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
88.33
TPSA
34.59
LogP / Solubility
WLOGP
0.21
MLOGP
0.21
XLogP3
0.21
Consensus LogP
0.21
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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